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(Q105034683)
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English
digoxin ester derivative
group of stereoisomers with the chemical formula C₄₃H₆₆O₁₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
cardanolides
1 reference
inferred from
cardanolides
mass
822.440171412
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₄₃H₆₆O₁₅
0 references
canonical SMILES
O=C1OCC(=C1)C2CCC3(O)C4CCC5CC(OC6OC(C)C(OC7OC(C)C(OC8OC(C)C(O)C(OC(=O)C)C8)C(O)C7)C(O)C6)CCC5(C)C4CC(O)C23C
0 references
found in taxon
Digitalis lanata
4 references
stated in
A preliminary phytochemical investigation of Digitalis orientalis
stated in
Über die Glykoside von Digitalis orientalis L.
stated in
Digitalis extraction studies. III
stated in
Digitalis extraction studies. IV
Digitalis grandiflora
2 references
stated in
Über die Glykoside von Digitalis orientalis L.
stated in
A preliminary phytochemical investigation of Digitalis orientalis
Identifiers
InChI
InChI=1S/C43H66O15/c1-20-38(49)32(55-23(4)44)18-37(52-20)58-40-22(3)54-36(17-31(40)46)57-39-21(2)53-35(16-30(39)45)56-26-9-11-41(5)25(14-26)7-8-28-29(41)15-33(47)42(6)27(10-12-43(28,42)50)24-13-34(48)51-19-24/h13,20-22,25-33,35-40,45-47,49-50H,7-12,14-19H2,1-6H3
0 references
InChIKey
HWKJSYYYURVNQU-UHFFFAOYSA-N
0 references
PubChem CID
417452
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HWKJSYYYURVNQU-UHFFFAOYSA-N
UniChem compound ID
62750190
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0248186
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HWKJSYYYURVNQU-UHFFFAOYSA-N
Probes And Drugs ID
PD066144
0 references
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